4-propan-2-yl-1,3-thiazolidine 1,1-dioxide

C6H13NO2S — CID 59396110

IUPAC4-propan-2-yl-1,3-thiazolidine 1,1-dioxide
SMILESCC(C)C1CS(=O)(=O)CN1
InChIInChI=1S/C6H13NO2S/c1-5(2)6-3-10(8,9)4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyHQCAYSZZMBHAFF-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.01
Rot. Bonds1

About 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide

4-propan-2-yl-1,3-thiazolidine 1,1-dioxide (PubChem CID 59396110) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-propan-2-yl-1,3-thiazolidine 1,1-dioxide
PubChem CID59396110
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-propan-2-yl-1,3-thiazolidine 1,1-dioxide
SMILESCC(C)C1CS(=O)(=O)CN1
InChIInChI=1S/C6H13NO2S/c1-5(2)6-3-10(8,9)4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyHQCAYSZZMBHAFF-UHFFFAOYSA-N
XLogP-0.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide (CID 59396110) is 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide is CC(C)C1CS(=O)(=O)CN1.
What is the InChIKey of 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide?
The InChIKey is HQCAYSZZMBHAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5(2)6-3-10(8,9)4-7-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide?
4-propan-2-yl-1,3-thiazolidine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59396110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).